1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea

C14H10F4N2O — CID 108892644

IUPAC1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F4N2O/c15-9-3-1-2-8(6-9)7-19-14(21)20-11-5-4-10(16)12(17)13(11)18/h1-6H,7H2,(H2,19,20,21)
InChIKeyVTOSVTAIWUTWQF-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.56
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea

1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892644) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892644
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F4N2O/c15-9-3-1-2-8(6-9)7-19-14(21)20-11-5-4-10(16)12(17)13(11)18/h1-6H,7H2,(H2,19,20,21)
InChIKeyVTOSVTAIWUTWQF-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
1-(2,4-difluorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63311976
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzoic acid
CID 79837694
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea (CID 108892644) is 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea is O=C(NCc1cccc(F)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is VTOSVTAIWUTWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-9-3-1-2-8(6-9)7-19-14(21)20-11-5-4-10(16)12(17)13(11)18/h1-6H,7H2,(H2,19,20,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 298.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).